Geometry & MOs

Info

ID:	140313
PubChem CID:	52681553
Reduced:	N4O5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	439.198145
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817750
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-1-(1H-imidazol-3-ium-3-yl)propan-2-yl]-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C[N+]1=CNC=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)OC)OC

DOS

IR

Vibrations